1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C27H21F2N7 — CID 137135160

IUPAC1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2F)c1
InChIInChI=1S/C27H21F2N7/c1-36(2)14-15-11-16(13-30-12-15)17-7-8-21-22(23(17)29)25(35-34-21)27-32-24-19(9-10-31-26(24)33-27)18-5-3-4-6-20(18)28/h3-13H,14H2,1-2H3,(H,34,35)(H,31,32,33)
InChIKeyMXOOSLOFWCDMDP-UHFFFAOYSA-N
MW481.51 g/mol
LogP5.57
Rot. Bonds5

About 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137135160) has the molecular formula C27H21F2N7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID137135160
Molecular FormulaC27H21F2N7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2F)c1
InChIInChI=1S/C27H21F2N7/c1-36(2)14-15-11-16(13-30-12-15)17-7-8-21-22(23(17)29)25(35-34-21)27-32-24-19(9-10-31-26(24)33-27)18-5-3-4-6-20(18)28/h3-13H,14H2,1-2H3,(H,34,35)(H,31,32,33)
InChIKeyMXOOSLOFWCDMDP-UHFFFAOYSA-N
XLogP5.57
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137135244
1-[5-[4-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055874
1-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136936482
N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137135169
2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137135196
1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137102026
1-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137038490
1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136937931
N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137135516
N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137134732
2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137135399
1-[5-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936714

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137135160) is 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2F)c1.
What is the InChIKey of 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is MXOOSLOFWCDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7/c1-36(2)14-15-11-16(13-30-12-15)17-7-8-21-22(23(17)29)25(35-34-21)27-32-24-19(9-10-31-26(24)33-27)18-5-3-4-6-20(18)28/h3-13H,14H2,1-2H3,(H,34,35)(H,31,32,33).
What are the key properties of 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 481.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137135160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).